KEGG   COMPOUND: C13757Help
Entry
C13757                      Compound                               

Name
Saxitoxin
Formula
C10H17N7O4
Exact mass
299.1342
Mol weight
299.2865
Structure
Mol fileKCF fileDB search
Brite
Natural toxins [BR:br08009]
 Cyanotoxins
  Alkaloids
   Others
    C13757  Saxitoxin
 Marine biotoxins
  Paralytic shellfish poisoning; PSP
   Carbamate derivatives
    C13757  Saxitoxin
Target-based classification of compounds [BR:br08010]
 Ion channels
  Voltage-gated cation channels
   Na+ channel, SCN alpha, NaV1.x
    voltage-gated sodium channel
     C13757  Saxitoxin
BRITE hierarchy
Other DBs
CAS: 35523-89-8
PubChem: 586343
ChEBI: 34970
ChEMBL: CHEMBL501134
PDB-CCD: 9SL[PDBj]
NIKKAJI: J365.643H
KCF data Show

ATOM        21
            1   N1x N    22.1279  -23.8581
            2   C2y C    22.1279  -25.2528
            3   N1y N    23.3357  -25.9501
            4   C1z C    24.5435  -25.2528
            5   C1y C    24.5435  -23.8581
            6   C1y C    23.3357  -23.1607
            7   N1x N    25.8700  -25.6138
            8   C2y C    26.6899  -24.5555
            9   N1x N    25.8700  -23.4270
            10  C1x C    23.6257  -27.3144
            11  C1x C    25.0128  -27.4601
            12  C1z C    25.5801  -26.3260
            13  C1b C    23.3357  -21.7660
            14  N2a N    28.0787  -24.5555
            15  N2a N    20.9200  -25.9501
            16  O1a O    26.9336  -26.3170
            17  O1a O    26.6842  -27.3677
            18  O7a O    22.1286  -21.0690
            19  C7a C    22.1188  -19.6694
            20  N1a N    20.9072  -18.9811
            21  O6a O    23.3207  -18.9643
BOND        23
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    3  10 1
            12   10  11 1
            13   11  12 1
            14    4  12 1 #Up
            15    6  13 1 #Up
            16    8  14 2
            17    2  15 2
            18   12  16 1
            19   12  17 1
            20   13  18 1
            21   18  19 1
            22   19  20 1
            23   19  21 2

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Ontology (2)   
   KEGG BRITE (2)   
Drug (1)   
   CHEMBL (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (8)   

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